dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate

C20H21NO4 — CID 101203348

IUPACdimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-24-19(22)15-16(20(23)25-2)18(14-11-7-4-8-12-14)21-17(15)13-9-5-3-6-10-13/h3-12,15-18,21H,1-2H3/t15-,16+,17-,18-/m1/s1
InChIKeyKGIXYHDLIBXRJA-XMTFNYHQSA-N
MW339.39 g/mol
LogP2.65
Rot. Bonds4

About dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate

dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate (PubChem CID 101203348) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
PubChem CID101203348
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namedimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-24-19(22)15-16(20(23)25-2)18(14-11-7-4-8-12-14)21-17(15)13-9-5-3-6-10-13/h3-12,15-18,21H,1-2H3/t15-,16+,17-,18-/m1/s1
InChIKeyKGIXYHDLIBXRJA-XMTFNYHQSA-N
XLogP2.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (2S,3R,4S,5R)-2-(4-hydroxyphenyl)-5-phenylpyrrolidine-3,4-dicarboxylate
CID 101222066
dimethyl 1,1-dioxo-3,5-diphenyl-1,4-thiazinane-2,6-dicarboxylate
CID 2802399
methyl (2S,3S,4R,5R)-4-acetyl-3,5-diphenylpyrrolidine-2-carboxylate
CID 102039180
4-O-ethyl 2-O-methyl (2S,3S,4S,5R)-5-phenyl-3-(trifluoromethyl)pyrrolidine-2,4-dicarboxylate
CID 15195778
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 686165
trimethyl (2S,3S,4S,5R)-5-(4-chlorophenyl)pyrrolidine-2,3,4-tricarboxylate
CID 102044379
dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate
CID 14062338
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
(2R,4R,5S)-4-methoxycarbonyl-5-phenylpyrrolidine-2-carboxylic acid
CID 54511745
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate
CID 6921319
methyl 4-bromo-5-phenylpyrazolidine-3-carboxylate
CID 75117972
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate?
The IUPAC name of dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate (CID 101203348) is dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate?
The canonical SMILES for dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate is COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1.
What is the InChIKey of dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate?
The InChIKey is KGIXYHDLIBXRJA-XMTFNYHQSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-19(22)15-16(20(23)25-2)18(14-11-7-4-8-12-14)21-17(15)13-9-5-3-6-10-13/h3-12,15-18,21H,1-2H3/t15-,16+,17-,18-/m1/s1.
What are the key properties of dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate?
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate has a molecular weight of 339.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate is sourced from PubChem (CID 101203348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).